smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000020107435	818614059	/nfs/dbraw/zinc/61/40/59/818614059.db2.gz	IPRUEYBHNZUJAR-HNNXBMFYSA-N	1	1	383.448	4.088	40	5		GIBBMO
O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000017076776	204604643	/nfs/dbraw/zinc/60/46/43/204604643.db2.gz	ZNGBKDQYJVMFIB-UHFFFAOYSA-N	1	1	375.428	4.236	40	5		GIBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000020107433	818613995	/nfs/dbraw/zinc/61/39/95/818613995.db2.gz	IPRUEYBHNZUJAR-OAHLLOKOSA-N	1	1	383.448	4.088	40	5		GIBBMO
COc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCCC2)cc1	ZINC000007275548	206221844	/nfs/dbraw/zinc/22/18/44/206221844.db2.gz	FBQIEIWHEWIDSX-UHFFFAOYSA-N	1	1	381.432	4.265	40	5		GIBBMO
O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000035290348	204151073	/nfs/dbraw/zinc/15/10/73/204151073.db2.gz	SSYZNMZPIZCDIX-IHWFROFDSA-N	1	1	397.450	4.049	40	5		GIBBMO
COc1ccc2c(C[N@H+]3CCCC[C@@H]3CO)cc3cc(OC)c(OC)cc3c2c1	ZINC000001619789	570266073	/nfs/dbraw/zinc/26/60/73/570266073.db2.gz	KGNVTELDXXAIHE-GOSISDBHSA-N	1	1	395.499	4.366	40	5		GIBBMO
Cc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-]	ZINC000038860109	821100851	/nfs/dbraw/zinc/10/08/51/821100851.db2.gz	UGOMPMCOWOAFHL-MRXNPFEDSA-N	1	1	387.867	4.407	40	5		GIBBMO
Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000035290328	570304801	/nfs/dbraw/zinc/30/48/01/570304801.db2.gz	CLNTXIFUAFESOI-SEJPIABJSA-N	1	1	393.487	4.219	40	5		GIBBMO
CCCC[N@@H+](CCO)CCNc1ccc(C)c2sc3ccccc3c(=O)c12	ZINC000004522807	570381810	/nfs/dbraw/zinc/38/18/10/570381810.db2.gz	PRSRQOCRGYLBMW-UHFFFAOYSA-N	1	1	384.545	4.229	40	5		GIBBMO
Cc1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-]	ZINC000038860112	821100938	/nfs/dbraw/zinc/10/09/38/821100938.db2.gz	UGOMPMCOWOAFHL-INIZCTEOSA-N	1	1	387.867	4.407	40	5		GIBBMO
O=c1c2c3ccccc3c(c3ccccc32)c(=O)n1C[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000017466985	207089246	/nfs/dbraw/zinc/08/92/46/207089246.db2.gz	NMTGWGDRPKDSAQ-JTSKRJEESA-N	1	1	398.506	4.370	40	5		GIBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000030945784	207376930	/nfs/dbraw/zinc/37/69/30/207376930.db2.gz	IXTPZVKZCVTHPD-AWEZNQCLSA-N	1	1	391.830	4.238	40	5		GIBBMO
Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc([N+](=O)[O-])cc2)C3)cc1	ZINC000035290330	570304772	/nfs/dbraw/zinc/30/47/72/570304772.db2.gz	OATOXULCGMJJQD-XDNSSPFJSA-N	1	1	393.487	4.219	40	5		GIBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000016524823	210190692	/nfs/dbraw/zinc/19/06/92/210190692.db2.gz	INUBXLOHLFXFFC-UHFFFAOYSA-N	1	1	387.439	4.405	40	5		GIBBMO
O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000035289784	570304926	/nfs/dbraw/zinc/30/49/26/570304926.db2.gz	PQRMINZJTYRPDG-VCSGRIEYSA-N	1	1	397.450	4.049	40	5		GIBBMO
COc1ccc2c(C[N@H+]3CCCC[C@H]3CO)cc3cc(OC)c(OC)cc3c2c1	ZINC000005361452	570435175	/nfs/dbraw/zinc/43/51/75/570435175.db2.gz	KGNVTELDXXAIHE-SFHVURJKSA-N	1	1	395.499	4.366	40	5		GIBBMO
O=c1c2c3ccccc3c(c3ccccc32)c(=O)n1C[C@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000017466987	210208992	/nfs/dbraw/zinc/20/89/92/210208992.db2.gz	NMTGWGDRPKDSAQ-VGSWGCGISA-N	1	1	398.506	4.370	40	5		GIBBMO
CC[N@@H+](CCNc1ccc(C)c2sc3ccccc3c(=O)c12)CC(C)(C)O	ZINC000004212058	570363143	/nfs/dbraw/zinc/36/31/43/570363143.db2.gz	ATQREMXMJIWUIN-UHFFFAOYSA-N	1	1	384.545	4.228	40	5	in-man	GIBBMO
O=c1c2c3ccccc3c(c3ccccc32)c(=O)n1C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000005704884	570451818	/nfs/dbraw/zinc/45/18/18/570451818.db2.gz	NMTGWGDRPKDSAQ-HTAPYJJXSA-N	1	1	398.506	4.370	40	5		GIBBMO
Cc1ccc(NCC[N@H+](C)C[C@@H](C)O)c2c(=O)c3ccc(Cl)cc3sc12	ZINC000005930868	570462147	/nfs/dbraw/zinc/46/21/47/570462147.db2.gz	BMSUEPBTDVNYBG-CYBMUJFWSA-N	1	1	390.936	4.101	40	5		GIBBMO
Cc1ccc(NCC[N@H+](C)C[C@H](C)O)c2c(=O)c3ccc(Cl)cc3sc12	ZINC000004522713	570381724	/nfs/dbraw/zinc/38/17/24/570381724.db2.gz	BMSUEPBTDVNYBG-ZDUSSCGKSA-N	1	1	390.936	4.101	40	5		GIBBMO
CCOc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCC2)cc1	ZINC000006870376	570652804	/nfs/dbraw/zinc/65/28/04/570652804.db2.gz	RLZXKMUHDKUBIR-UHFFFAOYSA-N	1	1	381.432	4.265	40	5		GIBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000038859641	821100821	/nfs/dbraw/zinc/10/08/21/821100821.db2.gz	NBMJQKCAPLHFLQ-INIZCTEOSA-N	1	1	387.867	4.407	40	5		GIBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000030945781	221708319	/nfs/dbraw/zinc/70/83/19/221708319.db2.gz	IXTPZVKZCVTHPD-CQSZACIVSA-N	1	1	391.830	4.238	40	5		GIBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000038859638	821101083	/nfs/dbraw/zinc/10/10/83/821101083.db2.gz	NBMJQKCAPLHFLQ-MRXNPFEDSA-N	1	1	387.867	4.407	40	5		GIBBMO
COc1ccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=[NH+]CCCCC2)cc1	ZINC000007275523	570823397	/nfs/dbraw/zinc/82/33/97/570823397.db2.gz	IHVRENODDZTBQQ-UHFFFAOYSA-N	1	1	381.432	4.265	40	5		GIBBMO
C[C@@H]1CCCC[N@H+]1CCNc1ccc(CO)c2sc3ccccc3c(=O)c12	ZINC000005010725	570423792	/nfs/dbraw/zinc/42/37/92/570423792.db2.gz	PVZAIFPRJDURMZ-OAHLLOKOSA-N	1	1	382.529	4.193	40	5		GIBBMO
O=c1c2c3ccccc3c(c3ccccc32)c(=O)n1C[C@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000005704885	570451773	/nfs/dbraw/zinc/45/17/73/570451773.db2.gz	NMTGWGDRPKDSAQ-VGOFRKELSA-N	1	1	398.506	4.370	40	5		GIBBMO